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Read molecular mechanics force fields #37

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0x00b1 opened this issue Jun 12, 2024 · 0 comments
Open

Read molecular mechanics force fields #37

0x00b1 opened this issue Jun 12, 2024 · 0 comments
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@henry-isaacson
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enhancement New feature or request

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@0x00b1
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0x00b1 commented Jun 12, 2024 •
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Beignet should provide a mechanism to read (and use) molecular mechanics force fields.

Tasks

  • Read SMIRNOFF

References

openforcefield/openff-toolkit
openforcefield/openff-forcefields
Jeff Wagner (@j-wags)
@0x00b1 0x00b1 added the enhancement New feature or request label Jun 12, 2024
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